Abstract
Guanylthiourea (GTU) derivatives were identified as possible anti-malarial agents, recently, using in vitro studies on Plasmodium falciparum. This article gives an account of the in vivo anti-malarial activity of GTU derivatives against experimental rodent malaria. A total of 20 synthesized GTU derivatives were evaluated for in vivo antimalarial activity, out of which six showed encouraging results; one compound appeared to have curative potential. Molecular docking and molecular dynamics analysis were carried out to understand the molecular level interactions.
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•SBDD and synthesis of guanylthiourea derivatives as antimalarial agents.•Curative activity of compound 11 encourages designing of flexible head groups.•In vivo results highlights the importance of linker chain.•MD simulations show similar binding interactions of 11 and WR99210.